1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane; octadecyl hydrogen sulfate

Systemtic Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane; octadecyl hydrogen sulfate Openeye Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane; octadecyl hydrogen sulfate CAS Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane; sulfuric acid octadecyl ester IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane; octadecyl hydrogen sulfate Traditional Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane; sulfuric acid stearyl ester Formula: C37H61ClN2O4S MolecularWeight: 665.40924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOS(=O)(=O)O.CN1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOS(=O)(=O)O.CN1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN2.C18H38O4S/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-4,6-11,19H,5,12-15H2,1H3;2-18H2,1H3,(H,19,20,21)